4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-1,2-dihydrobenzo[f]chromen-3-yl]phenyl]morpholine

C33H33FN2O3 — CID 59110883

About 4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-1,2-dihydrobenzo[f]chromen-3-yl]phenyl]morpholine

4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-1,2-dihydrobenzo[f]chromen-3-yl]phenyl]morpholine (PubChem CID 59110883) has the molecular formula C33H33FN2O3 and a molecular weight of 524.64 g/mol. Its IUPAC name is 4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-1,2-dihydrobenzo[f]chromen-3-yl]phenyl]morpholine.

Molecular Properties

• Compound Name: 4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-1,2-dihydrobenzo[f]chromen-3-yl]phenyl]morpholine
• PubChem CID: 59110883
• Molecular Formula: C33H33FN2O3
• Molecular Weight: 524.64 g/mol
• Exact Mass: 524.25
• IUPAC Name: 4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-1,2-dihydrobenzo[f]chromen-3-yl]phenyl]morpholine
• SMILES: Fc1cccc(C2(c3ccc(N4CCOCC4)cc3)CCc3c(cc(N4CCOCC4)c4ccccc34)O2)c1
• InChI: InChI=1S/C33H33FN2O3/c34-26-5-3-4-25(22-26)33(24-8-10-27(11-9-24)35-14-18-37-19-15-35)13-12-30-28-6-1-2-7-29(28)31(23-32(30)39-33)36-16-20-38-21-17-36/h1-11,22-23H,12-21H2
• InChIKey: BNHBLRLGXXZHKV-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 34.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.64
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-1,2-dihydrobenzo[f]chromen-3-yl]phenyl]morpholine?

The IUPAC name of 4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-1,2-dihydrobenzo[f]chromen-3-yl]phenyl]morpholine (CID 59110883) is 4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-1,2-dihydrobenzo[f]chromen-3-yl]phenyl]morpholine.

What is the SMILES notation for 4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-1,2-dihydrobenzo[f]chromen-3-yl]phenyl]morpholine?

The canonical SMILES for 4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-1,2-dihydrobenzo[f]chromen-3-yl]phenyl]morpholine is Fc1cccc(C2(c3ccc(N4CCOCC4)cc3)CCc3c(cc(N4CCOCC4)c4ccccc34)O2)c1.

What is the InChIKey of 4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-1,2-dihydrobenzo[f]chromen-3-yl]phenyl]morpholine?

The InChIKey is BNHBLRLGXXZHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33FN2O3/c34-26-5-3-4-25(22-26)33(24-8-10-27(11-9-24)35-14-18-37-19-15-35)13-12-30-28-6-1-2-7-29(28)31(23-32(30)39-33)36-16-20-38-21-17-36/h1-11,22-23H,12-21H2.

What are the key properties of 4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-1,2-dihydrobenzo[f]chromen-3-yl]phenyl]morpholine?

4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-1,2-dihydrobenzo[f]chromen-3-yl]phenyl]morpholine has a molecular weight of 524.64 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-(3-fluorophenyl)-6-morpholin-4-yl-1,2-dihydrobenzo[f]chromen-3-yl]phenyl]morpholine is sourced from PubChem (CID 59110883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).